I can't reproduce any of these crashes on my Sandy Bridge + GPU machine.But we just found a strange issue with the current git code, which has not been fully resolved yet.Could you try replacing gmx_erfd in src/mdlib/tables.c by erfd?This might help.

I can't reproduce any of these crashes on my Sandy Bridge + GPU machine.But we just found a strange issue with the current git code, which has not been fully resolved yet.Could you try replacing gmx_erfd in src/mdlib/tables.c by erfd?This might help.

I can't reproduce any of these crashes on my Sandy Bridge + GPU machine.But we just found a strange issue with the current git code, which has not been fully resolved yet.Could you try replacing gmx_erfd in src/mdlib/tables.c by erfd?This might help.

I have finally managed to run a memory checker and it gave one, unrelated error. So I have no clue what the issue is you are experiencing. We have had OpenMP issues with old gcc versions.Could you try reconfiguring and recompiling with -DGMX_OPENMP=off to check if that might be the cause?Installing a newer version of gcc will anyhow improve performance. We would recommend gcc 4.7.

I have finally managed to run a memory checker and it gave one, unrelated error. So I have no clue what the issue is you are experiencing. We have had OpenMP issues with old gcc versions.Could you try reconfiguring and recompiling with -DGMX_OPENMP=off to check if that might be the cause?Installing a newer version of gcc will anyhow improve performance. We would recommend gcc 4.7.

I compiled GROMACS with the -DGMX_OPENMP=off option and get still the same segfault. Since I am running debian 6 on my system an update to gcc 4.7 is hard to do and ends up in all sorts of dependency problems. On the WE I will try to get the gcc 4.7 running and will compile GROMACS with it.It seems that not only I have this problems ( http://www.mail-archive.com/gmx-users@gromacs.org/msg55541.html )

Something that would help a lot is to get a full backtrace.Could you switch to debug mode: use ccmake, change the buildtype from Release to Debugand then do:gdb mdruntype: runwait until it crashes, thentype: whereand send me the result?

I have finally managed to run a memory checker and it gave one, unrelated error. So I have no clue what the issue is you are experiencing. We have had OpenMP issues with old gcc versions.Could you try reconfiguring and recompiling with -DGMX_OPENMP=off to check if that might be the cause?Installing a newer version of gcc will anyhow improve performance. We would recommend gcc 4.7.

I compiled GROMACS with the -DGMX_OPENMP=off option and get still the same segfault. Since I am running debian 6 on my system an update to gcc 4.7 is hard to do and ends up in all sorts of dependency problems. On the WE I will try to get the gcc 4.7 running and will compile GROMACS with it.It seems that not only I have this problems ( http://www.mail-archive.com/gmx-users@gromacs.org/msg55541.html )

Please do not ask me why, but the cmake -DCMAKE_BUILD_TYPE:STRING=Debug flag solved the problem. I tried it again with a gromacs version compiled without the flag and got the same segfault as before. Including the flag again solved the issue again.

Could you attache your CMakeCache.txt so we can see what acceleration level is chosen by cmake? Also you could compile with Release but then add a "-g" to CMAKE_C_FLAGS_RELEASE. That way you should be able to get a stack trace with gdb.

The "Detected in" drop-down field was removed without much discussion 1.5-2 years ago and has never been re-added. With that not only information of some (then) existing bugs was trashed, but we also crippled the database: since then almost nobody adds version information to the bugs.